SCHEMBL18208192

SCHEMBL18208192

O=C(NC1CCC2(CC1)CCN(c1c(F)cc(F)cc1Cl)C2=O)c1cnc2cccnn12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.43
PDE4D Q08499 11/20 0.43
PDE4C Q08493 9/20 0.43
PDE4A P27815 8/20 0.42
HSD11B1 P28845 1/20 0.40
NTRK1 P04629 3/20 0.39
TYK2 P29597 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18208194 1.00 PDE4B (0.43) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208641 0.88 NTRK1 (0.41) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208638 0.88 NTRK1 (0.41) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18209067 0.87 PDE4B (0.45) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18209069 0.87 PDE4B (0.45) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208954 0.84 PDE4B (0.46) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208952 0.84 PDE4B (0.46) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208726 0.83 NTRK1 (0.42) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208727 0.83 NTRK1 (0.42) PDE4BPDE4DPDE4CPDE4AHSD11B1
SCHEMBL18208672 0.83 HSD11B1 (0.44) PDE4BPDE4DPDE4CPDE4AHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S PDE4B 3247/4885PDE4D 3793/4885PDE4C 3681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.